DR-4485 hydrochloride

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H28Cl2N2O.ClH
Molecular Weight	491.88
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.ClC1=CC=C(C=C1)C2=CCN(CCCCC34CCCC5=C3C(NC4=O)=CC=C5Cl)CC2

InChI

InChIKey=QAERYGXKDZHTFR-UHFFFAOYSA-N

InChI=1S/C26H28Cl2N2O.ClH/c27-20-7-5-18(6-8-20)19-11-16-30(17-12-19)15-2-1-13-26-14-3-4-21-22(28)9-10-23(24(21)26)29-25(26)31;/h5-11H,1-4,12-17H2,(H,29,31);1H

HIDE SMILES / InChI

Molecular Formula	C26H28Cl2N2O
Molecular Weight	455.419
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
5-hydroxytryptamine receptor 7 15 Target ID: P34969 Gene ID: 3363.0 Gene Symbol: HTR7 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19326916\|https://www.ncbi.nlm.nih.gov/pubmed/12467617	Antagonist 2778		8.14 null [pKi]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:14:17 GMT 2023` Edited by `admin` on `Sat Dec 16 19:14:17 GMT 2023`
Record UNII	5BJV5NUM68
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DR-4485 hydrochloride

Common Name

English

6-chloro-2a-[4-[4-(4-chlorophenyl)-3,6-dihydro-1(2h)-pyridinyl]butyl]-2a,3,4,5-tetrahydrobenz[cd]indol-2(1h)-one hydrochloride

Systematic Name

English

Benz[cd]indol-2(1H)-one, 6-chloro-2a-[4-[4-(4-chlorophenyl)-3,6-dihydro-1(2H)-pyridinyl]butyl]-2a,3,4,5-tetrahydro-, monohydrochloride

Systematic Name

English

Benz[cd]indol-2(1H)-one, 6-chloro-2a-[4-[4-(4-chlorophenyl)-3,6-dihydro-1(2H)-pyridinyl]butyl]-2a,3,4,5-tetrahydro-, hydrochloride (1:1)

Systematic Name

English

DR4485 hydrochloride

Common Name

English

Code System Code Type Description

PUBCHEM

90488996

Created by admin on Sat Dec 16 19:14:17 GMT 2023 , Edited by admin on Sat Dec 16 19:14:17 GMT 2023

PRIMARY

CAS

402942-53-4

Created by admin on Sat Dec 16 19:14:17 GMT 2023 , Edited by admin on Sat Dec 16 19:14:17 GMT 2023

PRIMARY

FDA UNII

5BJV5NUM68

Created by admin on Sat Dec 16 19:14:17 GMT 2023 , Edited by admin on Sat Dec 16 19:14:17 GMT 2023

PRIMARY

EPA CompTox

DTXSID901031962

Created by admin on Sat Dec 16 19:14:17 GMT 2023 , Edited by admin on Sat Dec 16 19:14:17 GMT 2023

PRIMARY

Related Record Type Details


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DR-4485 Free Base

PARENT -> SALT/SOLVATE

Amount: